1,3-benzothiazol-2-ylmethyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C14H11N3O4S MolecularWeight: 317.31984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S/c1-16-7-9(17(19)20)6-11(16)14(18)21-8-13-15-10-4-2-3-5-12(10)22-13/h2-7H,8H2,1H3